title: N-H activation in N-nitropropionamide: coordination chemistry of a primary nitroamide.
abstract: N-nitropropionamide, EtC(O)NHNO(2), oxidatively adds to Ir(Cl)(N(2))(PPh(3))(2) to give a η(2)-(N,O)-N-nitropropionamide anion bound to an Ir hydride complex. Single-crystal X-ray diffraction of the product indicates that it forms an unusual O-bound chelate through the nitro group. Density functional calculations for a model nickel complex, [Ni(MeC(O)NNO(2))(CN)(2)](-), are used to help distinguish the observed IR bands for the four possible conformations and binding geometries of this ligand.
authors.affiliation: Department of Chemistry, McGill University, Montreal, Canada. Scott.Bohle@mcgill.ca
authors.forename: D Scott
authors.initials: DS
authors.lastname: Bohle
authors.forename: Zhijie
authors.initials: Z
authors.lastname: Chua
mesh_terms: D000577:Amides / Q000737:chemistry*; D018360:Crystallography, X-Ray; D007495:Iridium / Q000737:chemistry*; D008958:Models, Molecular; D015394:Molecular Structure; D009942:Organometallic Compounds / Q000138:chemical synthesis* / Q000737:chemistry
chemical_list: D000577:Amides; D009942:Organometallic Compounds; D007495:Iridium